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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate
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Accession:CHEBI:156206 term browser browse the term
Definition:A beta-alanine derivative obtained by formal condensation of the carboxy group of orotic acid with the amino group of methyl beta-alaninate. One of a series of mucosal-associated invariant T (MAIT) cell agonists.
Synonyms:exact_synonym: methyl 3-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)amino]propanoate;   methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
 related_synonym: Formula=C9H11N3O5;   InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16);   InChIKey=OQKCUQQTEDLJJP-UHFFFAOYSA-N;   N-[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]-beta-alanine, methyl ester;   NV-18-1;   NV18.1;   SMILES=C1(NC(C=C(N1)C(NCCC(=O)OC)=O)=O)=O
 xref: PDBeChem:N18;   PMID:32341160


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Term Annotations click to browse term
  CHEBI ontology 24387
    role 24297
      biological role 24264
        pharmacological role 21138
          agonist 19117
            MAIT cell agonist 0
              methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24387
    subatomic particle 24344
      composite particle 24344
        hadron 24344
          baryon 24344
            nucleon 24344
              atomic nucleus 24344
                atom 24344
                  main group element atom 24191
                    p-block element atom 24191
                      carbon group element atom 23974
                        carbon atom 23934
                          organic molecular entity 23934
                            organic group 22220
                              organic divalent group 22194
                                organodiyl group 22194
                                  carbonyl group 22177
                                    carbonyl compound 22177
                                      carboxylic acid 21201
                                        amino acid 14825
                                          non-proteinogenic amino acid 1835
                                            beta-amino acid 193
                                              beta-alanine 58
                                                beta-alanine derivative 58
                                                  methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-beta-alaninate 0
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